Geometry & MOs

Info

ID:	377958
PubChem CID:	134224025
Reduced:	ClNO4C26H26 (1)
Stoich.:	ABC4D26E26 (1)
Weight, g/mol:	403.118651
ΔH_f, kcal/mol:	-119.9
Dipole, Da:	8.99
IP(EA), eV:	-9.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-chloro-2-oxo-9-[(3R)-oxolan-3-yl]oxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)Cl)OCC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations